| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 3879-26-3 |
| FDA UNII: | KZ9PY9FK2P |
| Category: | flavor and fragrance agents |
| IUPAC Name: | neryl acetone |
| InChI : | InChI=1/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9- |
| Std.InChI: | InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9- |
| InChIKey : | HNZUNIKWNYHEJJ-XFXZXTDPBA |
| Std.InChIKey: | HNZUNIKWNYHEJJ-XFXZXTDPSA-N |
| SMILES : | CC(=CCC/C(=C\CCC(=O)C)/C)C |
| MDL: | MFCD00074898 |
| Molar Refractivity : | 62.10 ± 0.3 cm3 (est) |
| Parachor : | 521.2 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.459 ± 0.02 (est) |
| Surface Tension : | 27.7 ± 3.0 dyne/cm (est) |
| Density : | 0.855 ± 0.06 g/cm3 (est) |
| Polarizability : | 24.62 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 90.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.86800 @ 25.00 °C. |
| Refractive Index: | 1.45800 to 1.46800 @ 20.00 °C. |
| Boiling Point: | 80.00 °C. @ 0.03 mm Hg |
| Boiling Point: | 106.00 to 107.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.016000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 225.00 °F. TCC ( 107.22 °C. ) |
| logP (o/w): | 4.129 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | refrigerate in tightly sealed containers. |
| Soluble in: | |
| alcohol | |
| water, 8.867 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| Nerylacetone |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for neryl acetone usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :1713001 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| (5Z)-6,10-dimethylundeca-5,9-dien-2-one |
| Chemidplus:0003879263 |
| (5Z)-6,10-dimethylundeca-5,9-dien-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 1713001 |
| Pubchem (sid): | 10521272 |
| Pherobase: | View |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB008523 |
| Export Tariff Code: | 2914.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| For Odor |
| citrus |
| aldehydic nitrile FR |
(E)-4- decenalFL/FR |
| earthy |
| methyl undecylenate FL/FR |
| fatty |
| decanol FL/FR |
| undecanal propylene glycol acetal FL/FR |
| floral |
alpha- amyl cinnamaldehyde / methyl anthranilate schiff's baseFR |
| benzyl lactate FL/FR |
| gardenia concrete FR |
| honeysuckle absolute FR |
| lily of the valley absolute FR |
| mimosa concrete france FL/FR |
| nonanol FL/FR |
| green |
3,7- dimethyl-6-octenoic acidFL/FR |
| oily |
| petal pyranone FL/FR |
| For Flavor |
| No flavor group found for these |
| benzyl lactate FL/FR |
| undecanal propylene glycol acetal FL/FR |
| floral |
| floral |
3,7- dimethyl-6-octenoic acidFL/FR |
| mimosa concrete france FL/FR |
| green |
(E)-4- decenalFL/FR |
| oily |
| petal pyranone FL/FR |
| waxy |
| decanol FL/FR |
| methyl undecylenate FL/FR |
| nonanol FL/FR |
| (Z)-6,10- | dimethyl-5,9-undecadien-2-one |
| cis-6,10- | dimethyl-5,9-undecadien-2-one |
| (5Z)-6,10- | dimethylundeca-5,9-dien-2-one |
| cis-6,10- | dimethylundeca-5,9-dien-2-one |
| (Z)- | geranyl acetone |
| (Z)- | neryl acetone |
| nerylacetone | |
| 5,9- | undecadien-2-one, 6,10-dimethyl-, (5Z)- |
| 5,9- | undecadien-2-one, 6,10-dimethyl-, (Z)- |
